K. Xiao-yu

发表

Theoretical investigation of zero-field splitting and local structure distortion for a substitution of Fe3+ ion in CdCl2 crystal

Lu Cheng, K. Xiao-yu, Yang Xiong, 2007 .

Study on the local structure of (CrO6)(9-) complex in garnet crystals by optical and EPR spectrum

K. Xiao-yu, Huang Jin-ling, Mao Ai-Jie, 2008 .

A density functional theory study on size-dependent structures, stabilities, and electronic properties of bimetallic M n Ag m (M=Na, Li; n + m <= 7) clusters

Li Yan-fang, S. Peng, K. Xiao-yu, 2012 .

Geometrical, electronic, and magnetic properties of small AunSc (n=1–8) clusters

Guo Jian-jun, Die Dong, K. Xiao-yu, 2011 .

Determination of structures, stabilities, and electronic properties for bimetallic cesium-doped gold clusters: a density functional theory study.

Lu Cheng, K. Xiao-yu, Mao Ai-Jie, 2011, The journal of physical chemistry. A.

Geometries, stabilities, and electronic properties of Be-doped gold clusters: a density functional theory study

Li Yan-fang, S. Peng, K. Xiao-yu, 2011 .

Density functional theory study of AunMn(n=1–8) clusters

Guo Jian-jun, Die Dong, K. Xiao-yu, 2010 .

EPR theoretical investigation of substitution site and local lattice structure of tetragonal Cr2+ in cadmium thiogallate

K. Xiao-yu, Tan Xiao-ming, Z. Kang-Wei, 2006 .

Probing the geometric, electronic and magnetic properties of bimetallic palladium-gold clusters (n = 1–8)

K. Xiao-yu, Mao Ai-Jie, Chen Gang, 2012 .

Investigation of the EPR and local defect structures for (FeO 6 ) 9- and (MnO 6 ) 10- clusters in TiO 2 crystal at different temperature

Li Ying, K. Xiao-yu, Mao Ai-Jie, 2008 .

Determination of the local molecular structure of metal perchlorate complex from the electron paramagnetic resonance spectra for a substitution of Mn2+ ion: a complete energy matrices study

Li Yan-fang, Lu Cheng, K. Xiao-yu, 2009 .

Theoretical study of local lattice structure of Fe3+-VM system in iron-doped AMF3 crystals

K. Xiao-yu, Li Jin-hong, Duan Mei-ling, 2007 .

Antiferromagnetic exchange interaction of Cr3+ dimer in acid erothro chloride (NH3)(5)CrOHCr(NH3)(4)(H2O) Cl-5 center dot H2O and LaAlO3 : Cr3+ molecules

K. Xiao-yu, Z. Kang-Wei, 2000 .

STUDY OF ANTIFERROMAGNETIC INTERACTION OF MN-F-MN CLUSTER IN KMGF3:MN2+ AND KZNF3:MN2+ SYSTEMS

K. Xiao-yu, Z. Kang-Wei, 1999 .

Theory of covalent heterodinuclear magnetic exchange interaction and its application to MnIIIFeIII and FeIIFeII spin clusters in complex molecules

K. Xiao-yu, Z. Kang-Wei, 2002 .

Magnetic theory for MnIII–O–MnIII spin-cluster in oxo-bridged covalent complex Mn2O(5-NO2saldien)2

K. Xiao-yu, Z. Kang-Wei, 2002 .

On Zhao's relationship

K. Xiao-yu, 1988 .

Investigation of optical spectra and local structure for (CrF6)3− cluster in Cs2NaAlF6:Cr3+ and Cs2NaGaF6:Cr3+ systems

Li Ying, K. Xiao-yu, Huang Jin-ling, 2008 .

Comment on Zhao's 'ab initio' calculation

K. Xiao-yu, Chen Zhong-hou, 1988 .

Effect of local structure on electron paramagnetic resonance spectra for trigonal Cr(H(2)O)(6) (3+) coordination complex in the sulfate alums series: a ligand field theory study

Li Yan-fang, K. Xiao-yu, Zhao Ya-ru, 2009 .

The fine structure levels and spin-singlet contributions to zero-field-splitting parameters of Cr2+ ion in CdGa2S4

Li Zi-jiang, K. Xiao-yu, Tan Xiao-ming, 2010 .

EPR theoretical study of local lattice structure of Fe3+ in octahedral site in yttrium gallium garnet

Guo Jian-jun, Die Dong, K. Xiao-yu, 2005 .

Theoretical studies of the optical and EPR spectra for Fe3+ ion in the MF3:Fe3+ (M=Al, Ga) systems

K. Xiao-yu, Mao Ai-Jie, Li Ju-fen, 2010 .

Theoretical study of local crystal structure in KZnF3 : Fe3+ system

Lu Wei, K. Xiao-yu, Huang Xiao-fen, 2005 .

Optical spectrum, local lattice structure and EPR g factors for Cr3+ impurity ions in MgTiO3 and LiTaO3

Zhang Cai-xia, K. Xiao-yu, Mao Ai-Jie, 2008 .

EPR theoretical study of hydrostatic pressure and temperature dependence of local lattice structure for [Mn(H2O)6]2+ octahedral complex in the Zn(BF4)2· 6H2O:Mn2+system

K. Xiao-yu, Yang Xiong, 2007 .

Correlation between Zero-Field Splitting and Site Distortions of Cr(3+) Ions in NH(4)Cl:Cr(3+) System: a Complete Energy Matrix Study

Li Yan-fang, K. Xiao-yu, Qiying Lin, 2009 .

Investigations of the electron paramagnetic resonance parameters and the tetragonal local structure for (VCl(6))(4-) coordination complex in MCl:V(2+) (M=Na, K, Rb) systems

Zhang Cai-xia, K. Xiao-yu, Qiying Lin, 2009 .

Theoretical study of electron paramagnetic resonance spectrum and local lattice distortion for Mn2+ in Al2O3 : Mn2+ system

K. Xiao-yu, Tan Xiao-ming, Mao Ai-Jie, 2006 .

EPR parameters and local lattice structure study of trigonal Fe3+ center in CsMgCl3 crystal

Guo Jian-jun, Die Dong, K. Xiao-yu, 2006 .

Theoretical investigations of the local distortion and electron paramagnetic resonance parameter for CdCl 2 :V 2+ and CsMg X 3 :V 2+ ( X =Cl, Br) systems

Zhang Cai-xia, K. Xiao-yu, Chai Rui-Peng, 2010 .

Theoretical study of trigonal Fe3+ center in SrCl2 : Fe3+ system

K. Xiao-yu, Yang Xiong, W. Hui, 2005 .

GROUND-STATE ZERO-FIELD SPLITTING OF 6S-STATE IONS IN CdS CRYSTAL

K. Xiao-yu, 1997 .

Covalency Coupling Interaction of the d5-Configuration in Ligand Field.

K. Xiao-yu, I. Morgenstern-Badarau, 1994 .

Study of EPR zero-field splitting of iron–sulfur clusters in tetrahedral ZnS:FeIII system

Lu Wei, Die Dong, K. Xiao-yu, 2003 .

Analysis of ground-state zero-field splitting for Mn2+ in hexagonal ZnS :Mn2+

Lu Wei, Die Dong, K. Xiao-yu, 2003 .

Local lattice structure study of the octahedral (CrO6)9- clusters for Cr3+ ion doping in a variety of oxide crystals by simulating the corresponding EPR and optical spectra.

K. Xiao-yu, Mao Ai-Jie, W. Hui, 2008, The journal of physical chemistry. A.

Theoretical investigation of the local lattice structure of Cr2+ ion at tetragonal sites in GaAs semiconductor

Zhang Xian-zhou, K. Xiao-yu, Jiao Zhao-yong, 2009 .

Theoretical investigation of electron paramagnetic resonance spectra and local structure distortion for Mn2+ ions in CaCO3:Mn2+ system: a simple model for Mn2+ ions in a trigonal ligand field.

Lu Cheng, K. Xiao-yu, Yang Xiong, 2007, The journal of physical chemistry. A.

Characterization of electronic transition energies and trigonal distortion of the (FeO6)9- coordination complex in the Al2O3:Fe3+ system: a simple method for transition-metal ions in a trigonal ligand field.

Lu Cheng, K. Xiao-yu, 2006, The journal of physical chemistry. A.

Optical absorption and EPR study of the octahedral Fe3+ center in yttrium aluminum garnet

Guo Jian-jun, Die Dong, K. Xiao-yu, 2005 .

Accurate calculations of the high-pressure elastic constants based on the first-principles

X. Kuang, Xiang-dong Yang, Yang Xiang-dong, 2015 .

Phase transition properties of ferroelectric thin films with two surface layers

Lu Cheng, K. Xiao-yu, Yang Xiong, 2006 .

Ab initio calculation of the geometric, electronic and magnetic properties of neutral and anionic Au n Pd (n = 1–9) clusters

Li Yan-fang, K. Xiao-yu, Mao Ai-Jie, 2011 .